2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid

C9H17NO5 — CID 123306359

IUPAC2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
SMILESCC1(CC(NCCO)C(=O)O)OCCO1
InChIInChI=1S/C9H17NO5/c1-9(14-4-5-15-9)6-7(8(12)13)10-2-3-11/h7,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyRNRNKRHMFYWXFQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.83
Rot. Bonds6

About 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid

2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid (PubChem CID 123306359) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
PubChem CID123306359
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
SMILESCC1(CC(NCCO)C(=O)O)OCCO1
InChIInChI=1S/C9H17NO5/c1-9(14-4-5-15-9)6-7(8(12)13)10-2-3-11/h7,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyRNRNKRHMFYWXFQ-UHFFFAOYSA-N
XLogP-0.83
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(8S)-1,4-Dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 12811374
(8R)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 137944265
(S)-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylic acid
CID 14314233
(S)-4-oxopipecolic acid ethylene acetal
CID 11745361
1,4-Dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 12811373
4,4-Diethoxy-L-proline
CID 12821179
(8S)-3-methyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 12821187
(2S)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid
CID 14819247
(2-Methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate
CID 23164484
(2S,4S)-4-(1,1-dimethoxyethoxy)pyrrolidine-2-carboxylic acid
CID 54247018
2-Hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 56615120
(R)-4-oxopipecolic acid ethylene acetal
CID 66519946

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid (CID 123306359) is 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid is CC1(CC(NCCO)C(=O)O)OCCO1.
What is the InChIKey of 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
The InChIKey is RNRNKRHMFYWXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-9(14-4-5-15-9)6-7(8(12)13)10-2-3-11/h7,10-11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid is sourced from PubChem (CID 123306359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).